4-bromo-3-chloro-2-(3-hydroxypropyl)phenol

C9H10BrClO2 — CID 172819441

IUPAC4-bromo-3-chloro-2-(3-hydroxypropyl)phenol
SMILESOCCCc1c(O)ccc(Br)c1Cl
InChIInChI=1S/C9H10BrClO2/c10-7-3-4-8(13)6(9(7)11)2-1-5-12/h3-4,12-13H,1-2,5H2
InChIKeyUAGVIAOGBGRRRN-UHFFFAOYSA-N
MW265.53 g/mol
LogP2.73
Rot. Bonds3

About 4-bromo-3-chloro-2-(3-hydroxypropyl)phenol

4-bromo-3-chloro-2-(3-hydroxypropyl)phenol (PubChem CID 172819441) has the molecular formula C9H10BrClO2 and a molecular weight of 265.53 g/mol. Its IUPAC name is 4-bromo-3-chloro-2-(3-hydroxypropyl)phenol.

Molecular Properties

Compound Name4-bromo-3-chloro-2-(3-hydroxypropyl)phenol
PubChem CID172819441
Molecular FormulaC9H10BrClO2
Molecular Weight265.53 g/mol
Exact Mass263.96
IUPAC Name4-bromo-3-chloro-2-(3-hydroxypropyl)phenol
SMILESOCCCc1c(O)ccc(Br)c1Cl
InChIInChI=1S/C9H10BrClO2/c10-7-3-4-8(13)6(9(7)11)2-1-5-12/h3-4,12-13H,1-2,5H2
InChIKeyUAGVIAOGBGRRRN-UHFFFAOYSA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.53
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-bromo-3-chloro-2-methylphenol;ethane
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2-bromo-4-(3-hydroxypropyl)phenol
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CID 117305989
2-(3-aminopropyl)-3-chloro-4-fluorophenol
CID 83881714
(3-bromo-2-chloro-6-fluorophenyl)methanol
CID 74892834
4-bromo-3-(3-hydroxypropyl)phenol
CID 66845048
2-(2-aminoethyl)-3-chloro-4-methylphenol
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4-bromo-3-(hydroxymethyl)-2-methylphenol
CID 66643800

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-2-(3-hydroxypropyl)phenol?
The IUPAC name of 4-bromo-3-chloro-2-(3-hydroxypropyl)phenol (CID 172819441) is 4-bromo-3-chloro-2-(3-hydroxypropyl)phenol.
What is the SMILES notation for 4-bromo-3-chloro-2-(3-hydroxypropyl)phenol?
The canonical SMILES for 4-bromo-3-chloro-2-(3-hydroxypropyl)phenol is OCCCc1c(O)ccc(Br)c1Cl.
What is the InChIKey of 4-bromo-3-chloro-2-(3-hydroxypropyl)phenol?
The InChIKey is UAGVIAOGBGRRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO2/c10-7-3-4-8(13)6(9(7)11)2-1-5-12/h3-4,12-13H,1-2,5H2.
What are the key properties of 4-bromo-3-chloro-2-(3-hydroxypropyl)phenol?
4-bromo-3-chloro-2-(3-hydroxypropyl)phenol has a molecular weight of 265.53 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-2-(3-hydroxypropyl)phenol is sourced from PubChem (CID 172819441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).